SMILES:
Cc1cncc2cccc(N[C@H]3CC[C@@H](NCCO)CC3)c12.ClMolecular Processing
Molecular formula
C18H26ClN3O
Molecular weight
335.88
Exact mass
335.1764
XLogP
3.27
TPSA
57.18
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
98.48
Supplementary Information
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